| SpectraBase Compound ID | CX5cIm7q9uC |
|---|---|
| InChI | InChI=1S/C17H21NS/c1-12-9-13(2)17(14(3)10-12)19-11-15-5-7-16(18-4)8-6-15/h5-10,18H,11H2,1-4H3 |
| InChIKey | QPNKYACCWHNYSN-UHFFFAOYSA-N |
| Mol Weight | 271.42 g/mol |
| Molecular Formula | C17H21NS |
| Exact Mass | 271.139471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3wIKAbc100 |
|---|---|
| Name | alpha-(Mesitylthio)-N-methyl-p-toluidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.139470854 u |
| Formula | C17H21NS |
| InChI | InChI=1S/C17H21NS/c1-12-9-13(2)17(14(3)10-12)19-11-15-5-7-16(18-4)8-6-15/h5-10,18H,11H2,1-4H3 |
| InChIKey | QPNKYACCWHNYSN-UHFFFAOYSA-N |
| Molecular Weight | 271.422 g/mol |
| SMILES | N(C=1C=CC(CSC2=C(C=C(C=C2C)C)C)=CC1)C |